SCHEMBL4388490

SCHEMBL4388490

CC(C)n1c(NCc2nc3ccccc3n2C)nc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 1.00
ALDH1A1 P00352 4/20 1.00
NPC1 O15118 10/20 0.78
RAB9A P51151 10/20 0.78
SMN1; SMN2 Q16637 5/20 0.78
KDM4E B2RXH2 3/20 0.63
ALOX15 P16050 3/20 0.61
MAPT P10636 3/20 0.60
GAA P10253 3/20 0.60
TSHR P16473 2/20 0.60
TP53 P04637 3/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
PKM P14618 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
USP2 O75604 2/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
MAPK1 P28482 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20715689 0.81 MAPT (0.76) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20715695 0.80 SMN1; SMN2 (0.76) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL31243047 0.78 NPC1 (1.00) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL14438330 0.78 NPC1 (0.65) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20715597 0.77 LMNA (0.72) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5608972 0.77 NPC1 (0.73) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13510026 0.77 NPC1 (0.63) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL3022260 0.77 MEN1 (0.76) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL1374759 0.76 NPC1 (0.71) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL20715531 0.75 PKM (0.80) LMNAALDH1A1NPC1RAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 US claimed
WO-2009042294-A2 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-04-02 WO disclosed
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 US disclosed
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 US disclosed
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-02-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090053192-A1 TISSUE-NONSPECIFIC ALKALINE PHOSPHATASE (TNAP) ACTIVATORS AND USES THEREOF ALPL, ALPP, ACP3 LMNA 3600/4885ALDH1A1 3056/4885NPC1 3610/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.